1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine

C14H32N2O3 — CID 90412101

IUPAC1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine
SMILESCCOCCC(N)C(N)(CCOCC)CCOCC
InChIInChI=1S/C14H32N2O3/c1-4-17-10-7-13(15)14(16,8-11-18-5-2)9-12-19-6-3/h13H,4-12,15-16H2,1-3H3
InChIKeyIXFFKAHPAGJBJW-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.29
Rot. Bonds13

About 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine

1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine (PubChem CID 90412101) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine.

Molecular Properties

Compound Name1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine
PubChem CID90412101
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine
SMILESCCOCCC(N)C(N)(CCOCC)CCOCC
InChIInChI=1S/C14H32N2O3/c1-4-17-10-7-13(15)14(16,8-11-18-5-2)9-12-19-6-3/h13H,4-12,15-16H2,1-3H3
InChIKeyIXFFKAHPAGJBJW-UHFFFAOYSA-N
XLogP1.29
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine?
The IUPAC name of 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine (CID 90412101) is 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine.
What is the SMILES notation for 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine?
The canonical SMILES for 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine is CCOCCC(N)C(N)(CCOCC)CCOCC.
What is the InChIKey of 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine?
The InChIKey is IXFFKAHPAGJBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-4-17-10-7-13(15)14(16,8-11-18-5-2)9-12-19-6-3/h13H,4-12,15-16H2,1-3H3.
What are the key properties of 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine?
1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 1.29, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethoxy-3-(2-ethoxyethyl)hexane-3,4-diamine is sourced from PubChem (CID 90412101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).